Structural studies of metal ligand complexes by ion mobility-mass spectrometry |
| |
Authors: | Victoria E Wright Fernando Castro-Gómez Ewa Jurneczko James C Reynolds Andrew Poulton Steven D R Christie Perdita Barran Carles Bo Colin S Creaser |
| |
Institution: | 1. Centre for Analytical Science, Department of Chemistry, Loughborough University, Loughborough, Leicestershire, LE11 3TU, UK 2. Institute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain 3. School of Chemistry, University of Edinburgh, Joseph Black Building, The King’s Buildings, West Mains Road, Edinburgh, EH9 3JJ, UK 4. Pharmaceutical Development, AstraZeneca, Macclesfield, Cheshire, SK10 2NA, UK 5. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Tarragona, Spain
|
| |
Abstract: | Collision cross sections (CCS) have been measured for three salen ligands, and their complexes with copper and zinc using travelling-wave ion mobility-mass spectrometry (TWIMS) and drift tube ion mobility-mass spectrometry (DTIMS), allowing a comparative size evaluation of the ligands and complexes. CCS measurements using TWIMS were determined using peptide and TAAH calibration standards. TWIMS measurements gave significantly larger CCS than DTIMS in helium, by 9 % for TAAH standards and 3 % for peptide standards, indicating that the choice of calibration standards is important in ensuring the accuracy of TWIMS-derived CCS measurements. Repeatability data for TWIMS was obtained for inter- and intra-day studies with mean RSDs of 1.1 % and 0.7 %, respectively. The CCS data obtained from IM-MS measurements are compared to CCS values obtained via the projection approximation, the exact hard spheres method and the trajectory method from X-ray coordinates and modelled structures using density functional theory (DFT) based methods. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|